About (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide
(2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide (PubChem CID 87293461) has the molecular formula C17H21FN6O5S
and a molecular weight of 440.46 g/mol. Its IUPAC name is (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide.
Molecular Properties
| Compound Name | (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide |
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| PubChem CID | 87293461 |
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| Molecular Formula | C17H21FN6O5S |
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| Molecular Weight | 440.46 g/mol |
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| Exact Mass | 440.13 |
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| IUPAC Name | (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide |
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| SMILES | NC(N)=NCCC[C@@H](N)C(=O)N(O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)nc1 |
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| InChI | InChI=1S/C17H21FN6O5S/c18-11-3-5-12(6-4-11)29-15-8-7-13(10-23-15)30(27,28)24(26)16(25)14(19)2-1-9-22-17(20)21/h3-8,10,14,26H,1-2,9,19H2,(H4,20,21,22)/t14-/m1/s1 |
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| InChIKey | QZOSNRAOXBKLOF-CQSZACIVSA-N |
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| XLogP | 0.30 |
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| TPSA | 187.22 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 440.46 |
| LogP ≤ 5 | 0.30 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide?
The IUPAC name of (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide (CID 87293461) is (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide.
What is the SMILES notation for (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide?
The canonical SMILES for (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide is NC(N)=NCCC[C@@H](N)C(=O)N(O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide?
The InChIKey is QZOSNRAOXBKLOF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21FN6O5S/c18-11-3-5-12(6-4-11)29-15-8-7-13(10-23-15)30(27,28)24(26)16(25)14(19)2-1-9-22-17(20)21/h3-8,10,14,26H,1-2,9,19H2,(H4,20,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide?
(2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide has a molecular weight of 440.46 g/mol, XLogP of 0.30, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide is sourced from PubChem (CID 87293461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).